SCHEMBL8031410

SCHEMBL8031410

Cc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 1/20 0.46
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
KCNH2 Q12809 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 2/20 0.40
KIF11 P52732 1/20 0.40
DPP4 P27487 2/20 0.40
NPBWR1 P48145 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
RAD51 Q06609 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP2 O95551 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2616101 0.88 LMNA (0.50) LMNAS1PR1THRBADORA3MAPT
SCHEMBL5217538 0.88 S1PR1 (0.51) LMNAS1PR1S1PR3THRBADORA3
SCHEMBL28330431 0.85 LMNA (0.64) LMNAKMT2AMAPTNPC1RAB9A
SCHEMBL28879162 0.83 ADORA3 (0.52) LMNAS1PR1S1PR3THRBADORA3
SCHEMBL3563339 0.81 KIF11 (0.46) LMNAS1PR1S1PR3THRBADORA3
SCHEMBL9013500 0.81 LMNA (0.68) LMNAKMT2AADORA3KCNH2MAPT
SCHEMBL3425538 0.80 LMNA (0.72) LMNAKMT2AADORA3MAPTNPC1
SCHEMBL29894012 0.80 S1PR1 (0.46) LMNAS1PR1S1PR3THRBADORA3
SCHEMBL9013368 0.80 ADORA3 (0.47) LMNAS1PR1S1PR3THRBADORA3
SCHEMBL11513769 0.79 LMNA (0.70) LMNAKMT2AMAPTNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121202-A 2-((THIENYL OR FURYL) (OXY OR THIO))-PYRIDINE AND 6-((THIENYL OR FURYL) (OXY OR THIO))-PYRIMIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-09-19 US disclosed
US-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed